2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C18H23N5O — CID 162648286

IUPAC2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(C3=CCNCC3)c2)n1
InChIInChI=1S/C18H23N5O/c1-12-10-17(19-2)23-18(21-12)22-14-4-5-16(24-3)15(11-14)13-6-8-20-9-7-13/h4-6,10-11,20H,7-9H2,1-3H3,(H2,19,21,22,23)
InChIKeyGYHXFXDRASSGTN-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.96
Rot. Bonds5

About 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 162648286) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID162648286
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(C3=CCNCC3)c2)n1
InChIInChI=1S/C18H23N5O/c1-12-10-17(19-2)23-18(21-12)22-14-4-5-16(24-3)15(11-14)13-6-8-20-9-7-13/h4-6,10-11,20H,7-9H2,1-3H3,(H2,19,21,22,23)
InChIKeyGYHXFXDRASSGTN-UHFFFAOYSA-N
XLogP2.96
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 162648286) is 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCNCC3)c2)n1.
What is the InChIKey of 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is GYHXFXDRASSGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-10-17(19-2)23-18(21-12)22-14-4-5-16(24-3)15(11-14)13-6-8-20-9-7-13/h4-6,10-11,20H,7-9H2,1-3H3,(H2,19,21,22,23).
What are the key properties of 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 325.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 162648286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).